Hydrogen Intramolecular Stretch Redshift in the Electrostatic Environment of Type II Clathrate Hydrates from Schrödinger Equation Treatment

Hydrogen Intramolecular Stretch Redshift in the Electrostatic Environment of Type II Clathrate Hydrates from Schrödinger Equation Treatment

The one-dimensional Schrödinger equation, applied to the H<sub>2</sub> intramolecular stretch coordinate in singly to quadruply occupied large cages in extended Type II (sII) hydrogen clathrate hydrate, was solved numerically herein via potential-energy scans from classical molecular dyn...

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Bibliographic Details
Main Authors: Christian J. Burnham, Zdenek Futera, Zlatko Bacic, Niall J. English
Format: Article
Language:English
Published: MDPI AG 2020-11-01
Series:Applied Sciences
Subjects:
hydrogen
clathrate hydrate
cages
confinement
nuclear quantum effects
redshift
Online Access:https://www.mdpi.com/2076-3417/10/23/8504

Internet

https://www.mdpi.com/2076-3417/10/23/8504

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